    49  Clusters/ALA-GLU/PDBs/Generator-995.pdb (Count 3780)
     1  H      5.685000    3.062000    3.392000   341     2
     2  C      5.622000    2.990000    2.308000   340     5     4     3     1
     3  H      5.953000    3.917000    1.846000   341     2
     4  H      6.237000    2.163000    1.957000   341     2
     5  C      4.172000    2.720000    1.908000   342     2     6     7
     6  O      3.862000    1.700000    1.298000   343     5
     7  N      3.282000    3.650000    2.258000     7     5     9    8
     8  H      3.579000    4.444000    2.794000    10     7
     9  C      1.882000    3.520000    1.938000     8     7     15    10    11
    10  H      1.793000    3.253000    0.882000    12     9
    11  C      1.172000    4.860000    2.148000    13     9    12    13    14
    12  H      1.640000    5.626000    1.529000    14    11
    13  H      0.127000    4.762000    1.850000    14    11
    14  H      1.221000    5.151000    3.198000    14    11
    15  C      1.202000    2.440000    2.758000     9     9    16    17
    16  O      1.392000    2.350000    3.968000    11     15
    17  N      0.402000    1.600000    2.088000   346     15    19    18
    18  H      0.282000    1.758000    1.085000   347    17
    19  C     -0.298000    0.520000    2.728000   348    17    21    20    22
    20  H     -0.950000    0.913000    3.508000   349    19
    21  H     -0.894000   -0.017000    1.989000   349    19
    22  H      0.423000   -0.167000    3.175000   349    19
    23  H     -5.073000   -2.683000   -0.371000   341    24
    24  C     -4.298000   -2.490000    0.368000   340    27    23    25    26
    25  H     -4.354000   -1.457000    0.706000   341    24
    26  H     -4.418000   -3.160000    1.218000   341    24
    27  C     -2.938000   -2.730000   -0.252000   342    24    28    29
    28  O     -2.158000   -3.560000    0.188000   343    27
    29  N     -2.648000   -2.000000   -1.332000   232    27    31    30
    30  H     -3.279000   -1.273000   -1.627000   235    29
    31  C     -1.388000   -2.130000   -2.032000   233    29    42    32    33
    32  H     -0.648000   -2.619000   -1.397000   237    31
    33  C     -0.838000   -0.750000   -2.382000   238    31    36    35    34
    34  H     -1.524000   -0.274000   -3.086000   239    33
    35  H      0.136000   -0.868000   -2.859000   239    33
    36  C     -0.668000    0.150000   -1.162000   240    33    39    38    37
    37  H     -1.628000    0.271000   -0.655000   241    36
    38  H      0.025000   -0.329000   -0.466000   241    36
    39  C     -0.148000    1.530000   -1.522000   242    36    40    41
    40  O      0.002000    2.350000   -0.602000   243    39
    41  O      0.062000    1.790000   -2.722000   243    39
    42  C     -1.518000   -2.980000   -3.292000   234    31    43    44
    43  O     -0.718000   -2.880000   -4.212000   236    42
    44  N     -2.558000   -3.820000   -3.322000   346    42    46    45
    45  H     -3.144000   -3.867000   -2.504000   347    44
    46  C     -2.818000   -4.690000   -4.452000   348    44    49    48    47
    47  H     -2.952000   -4.088000   -5.353000   349    46
    48  H     -1.965000   -5.354000   -4.604000   349    46
    49  H     -3.714000   -5.284000   -4.273000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-887.pdb (Count 3621)
     1  H      4.792000    1.519000   -2.214000   341     2
     2  C      4.055000    2.014000   -2.843000   340     5     4     3     1
     3  H      4.218000    1.760000   -3.888000   341     2
     4  H      4.127000    3.093000   -2.710000   341     2
     5  C      2.655000    1.564000   -2.423000   342     2     6     7
     6  O      1.835000    2.394000   -2.023000   343     5
     7  N      2.375000    0.264000   -2.543000     7     5     9    8
     8  H      3.090000   -0.386000   -2.818000    10     7
     9  C      1.065000   -0.226000   -2.223000     8     7     15    10    11
    10  H      0.829000    0.055000   -1.194000    12     9
    11  C      1.015000   -1.746000   -2.313000    13     9    12    13    14
    12  H      1.733000   -2.181000   -1.616000    14    11
    13  H      0.016000   -2.090000   -2.034000    14    11
    14  H      1.237000   -2.081000   -3.326000    14    11
    15  C     -0.015000    0.364000   -3.093000     9     9    16    17
    16  O     -1.075000    0.734000   -2.603000    11     15
    17  N      0.235000    0.454000   -4.393000   346     15    19    18
    18  H      1.122000    0.122000   -4.726000   347    17
    19  C     -0.675000    1.074000   -5.313000   348    17    21    20    22
    20  H     -1.643000    0.570000   -5.262000   349    19
    21  H     -0.289000    1.017000   -6.331000   349    19
    22  H     -0.820000    2.120000   -5.033000   349    19
    23  H     -0.256000    1.771000    5.496000   341    24
    24  C      0.425000    2.054000    4.697000   340    27    23    25    26
    25  H      0.146000    3.024000    4.292000   341    24
    26  H      1.445000    2.092000    5.075000   341    24
    27  C      0.355000    1.014000    3.587000   342    24    28    29
    28  O      1.355000    0.384000    3.247000   343    27
    29  N     -0.805000    0.824000    3.007000   232    27    31    30
    30  H     -1.588000    1.402000    3.261000   235    29
    31  C     -0.995000   -0.146000    1.967000   233    29    42    32    33
    32  H     -0.288000    0.058000    1.161000   237    31
    33  C     -2.405000   -0.066000    1.387000   238    31    36    35    34
    34  H     -3.124000   -0.355000    2.156000   239    33
    35  H     -2.604000    0.966000    1.093000   239    33
    36  C     -2.565000   -0.966000    0.167000   240    33    39    38    37
    37  H     -2.301000   -1.989000    0.441000   241    36
    38  H     -1.869000   -0.640000   -0.605000   241    36
    39  C     -3.975000   -0.996000   -0.383000   242    36    40    41
    40  O     -4.835000   -0.216000    0.057000   243    39
    41  O     -4.175000   -1.816000   -1.303000   243    39
    42  C     -0.705000   -1.546000    2.467000   234    31    43    44
    43  O     -0.055000   -2.336000    1.787000   236    42
    44  N     -1.205000   -1.896000    3.647000   346    42    46    45
    45  H     -1.762000   -1.234000    4.160000   347    44
    46  C     -0.905000   -3.206000    4.197000   348    44    49    48    47
    47  H      0.176000   -3.322000    4.294000   349    46
    48  H     -1.374000   -3.321000    5.174000   349    46
    49  H     -1.279000   -3.978000    3.521000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-446.pdb (Count 3101)
     1  H      1.976000   -4.643000   -2.372000   341     2
     2  C      1.454000   -3.802000   -2.823000   340     5     4     3     1
     3  H      1.771000   -3.666000   -3.854000   341     2
     4  H      0.379000   -3.973000   -2.788000   341     2
     5  C      1.764000   -2.542000   -2.033000   342     2     6     7
     6  O      0.874000   -1.902000   -1.473000   343     5
     7  N      3.044000   -2.182000   -1.993000     7     5     9    8
     8  H      3.735000   -2.767000   -2.423000    10     7
     9  C      3.484000   -0.992000   -1.283000     8     7     15    10    11
    10  H      2.793000   -0.183000   -1.515000    12     9
    11  C      4.874000   -0.592000   -1.753000    13     9    12    13    14
    12  H      4.860000   -0.416000   -2.829000    14    11
    13  H      5.172000    0.332000   -1.254000    14    11
    14  H      5.592000   -1.378000   -1.517000    14    11
    15  C      3.484000   -1.222000    0.197000     9     9    16    17
    16  O      3.724000   -2.332000    0.667000    11     15
    17  N      3.204000   -0.162000    0.957000   346     15    19    18
    18  H      2.933000    0.703000    0.481000   347    17
    19  C      3.194000   -0.232000    2.407000   348    17    21    20    22
    20  H      4.168000   -0.566000    2.767000   349    19
    21  H      2.431000   -0.942000    2.730000   349    19
    22  H      2.969000    0.753000    2.818000   349    19
    23  H     -4.047000    0.592000    4.599000   341    24
    24  C     -3.306000    1.228000    4.117000   340    27    23    25    26
    25  H     -3.673000    2.251000    4.067000   341    24
    26  H     -2.372000    1.190000    4.674000   341    24
    27  C     -3.066000    0.708000    2.707000   342    24    28    29
    28  O     -3.646000   -0.262000    2.257000   343    27
    29  N     -2.186000    1.408000    1.987000   232    27    31    30
    30  H     -1.695000    2.174000    2.414000   235    29
    31  C     -1.836000    1.048000    0.627000   233    29    42    32    33
    32  H     -1.447000    0.028000    0.595000   237    31
    33  C     -0.746000    2.018000    0.167000   238    31    36    35    34
    34  H     -1.150000    3.032000    0.135000   239    33
    35  H      0.041000    2.001000    0.924000   239    33
    36  C     -0.116000    1.698000   -1.163000   240    33    39    38    37
    37  H      0.095000    0.629000   -1.209000   241    36
    38  H     -0.815000    1.945000   -1.966000   241    36
    39  C      1.174000    2.468000   -1.323000   242    36    40    41
    40  O      2.214000    1.988000   -0.823000   243    39
    41  O      1.144000    3.548000   -1.933000   243    39
    42  C     -3.056000    1.108000   -0.263000   234    31    43    44
    43  O     -3.176000    0.318000   -1.203000   236    42
    44  N     -3.966000    2.028000   -0.003000   346    42    46    45
    45  H     -3.801000    2.627000    0.787000   347    44
    46  C     -5.176000    2.188000   -0.773000   348    44    49    48    47
    47  H     -4.919000    2.374000   -1.818000   349    46
    48  H     -5.763000    1.269000   -0.718000   349    46
    49  H     -5.763000    3.021000   -0.388000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-389.pdb (Count 2829)
     1  H      3.082000   -1.556000    2.188000   341     2
     2  C      2.710000   -1.176000    1.240000   340     5     4     3     1
     3  H      3.077000   -1.804000    0.426000   341     2
     4  H      3.040000   -0.153000    1.080000   341     2
     5  C      1.190000   -1.226000    1.230000   342     2     6     7
     6  O      0.590000   -1.916000    0.420000   343     5
     7  N      0.570000   -0.496000    2.160000     7     5     9    8
     8  H      1.111000    0.093000    2.767000    10     7
     9  C     -0.850000   -0.476000    2.260000     8     7     15    10    11
    10  H     -1.277000   -0.213000    1.288000    12     9
    11  C     -1.300000    0.544000    3.280000    13     9    12    13    14
    12  H     -0.970000    1.538000    2.974000    14    11
    13  H     -0.895000    0.310000    4.265000    14    11
    14  H     -2.390000    0.544000    3.331000    14    11
    15  C     -1.380000   -1.856000    2.640000     9     9    16    17
    16  O     -2.390000   -2.316000    2.120000    11     15
    17  N     -0.670000   -2.526000    3.560000   346     15    19    18
    18  H      0.181000   -2.116000    3.904000   347    17
    19  C     -1.060000   -3.846000    3.990000   348    17    21    20    22
    20  H     -1.051000   -4.523000    3.132000   349    19
    21  H     -0.371000   -4.218000    4.749000   349    19
    22  H     -2.073000   -3.819000    4.397000   349    19
    23  H      1.540000    4.164000    0.302000   341    24
    24  C      1.030000    3.454000    0.950000   340    27    23    25    26
    25  H      1.752000    2.923000    1.566000   341    24
    26  H      0.318000    3.981000    1.583000   341    24
    27  C      0.270000    2.454000    0.090000   342    24    28    29
    28  O     -0.930000    2.364000    0.170000   343    27
    29  N      1.000000    1.704000   -0.720000   232    27    31    30
    30  H      2.000000    1.797000   -0.751000   235    29
    31  C      0.360000    0.714000   -1.560000   233    29    42    32    33
    32  H     -0.244000    0.032000   -0.959000   237    31
    33  C      1.410000   -0.076000   -2.310000   238    31    36    35    34
    34  H      2.145000   -0.449000   -1.596000   239    33
    35  H      1.930000    0.585000   -3.006000   239    33
    36  C      0.830000   -1.276000   -3.070000   240    33    39    38    37
    37  H      0.091000   -0.925000   -3.793000   241    36
    38  H      0.320000   -1.933000   -2.362000   241    36
    39  C      1.900000   -2.046000   -3.820000   242    36    40    41
    40  O      2.610000   -1.426000   -4.650000   243    39
    41  O      2.040000   -3.266000   -3.580000   243    39
    42  C     -0.560000    1.384000   -2.560000   234    31    43    44
    43  O     -1.680000    0.924000   -2.780000   236    42
    44  N     -0.110000    2.494000   -3.150000   346    42    46    45
    45  H      0.823000    2.807000   -2.943000   347    44
    46  C     -0.920000    3.194000   -4.130000   348    44    49    48    47
    47  H     -0.390000    4.070000   -4.503000   349    46
    48  H     -1.861000    3.502000   -3.671000   349    46
    49  H     -1.143000    2.522000   -4.962000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-064.pdb (Count 2798)
     1  H      0.049000    3.254000    4.171000   341     2
     2  C     -0.590000    2.782000    4.915000   340     5     4     3     1
     3  H     -1.618000    3.112000    4.785000   341     2
     4  H     -0.241000    3.040000    5.914000   341     2
     5  C     -0.520000    1.272000    4.745000   342     2     6     7
     6  O     -0.110000    0.562000    5.655000   343     5
     7  N     -0.910000    0.782000    3.565000     7     5     9    8
     8  H     -1.157000    1.406000    2.813000    10     7
     9  C     -0.900000   -0.628000    3.295000     8     7     15    10    11
    10  H     -0.221000   -1.123000    3.991000    12     9
    11  C     -2.290000   -1.238000    3.495000    13     9    12    13    14
    12  H     -2.253000   -2.313000    3.314000    14    11
    13  H     -2.624000   -1.062000    4.518000    14    11
    14  H     -2.997000   -0.783000    2.800000    14    11
    15  C     -0.370000   -0.898000    1.895000     9     9    16    17
    16  O     -0.590000   -0.118000    0.965000    11     15
    17  N      0.280000   -2.038000    1.775000   346     15    19    18
    18  H      0.463000   -2.572000    2.609000   347    17
    19  C      0.610000   -2.648000    0.495000   348    17    21    20    22
    20  H     -0.253000   -2.606000   -0.171000   349    19
    21  H      1.442000   -2.119000    0.030000   349    19
    22  H      0.898000   -3.690000    0.633000   349    19
    23  H     -1.936000    2.258000    0.166000   341    24
    24  C     -2.400000    1.912000   -0.755000   340    27    23    25    26
    25  H     -2.808000    0.914000   -0.606000   341    24
    26  H     -3.186000    2.598000   -1.064000   341    24
    27  C     -1.340000    1.852000   -1.845000   342    24    28    29
    28  O     -1.410000    2.532000   -2.865000   343    27
    29  N     -0.360000    0.972000   -1.605000   232    27    31    30
    30  H     -0.406000    0.451000   -0.735000   235    29
    31  C      0.630000    0.532000   -2.545000   233    29    42    32    33
    32  H      0.732000    1.264000   -3.346000   237    31
    33  C      1.960000    0.422000   -1.805000   238    31    36    35    34
    34  H      2.187000    1.394000   -1.362000   239    33
    35  H      1.851000   -0.292000   -0.991000   239    33
    36  C      3.150000    0.002000   -2.665000   240    33    39    38    37
    37  H      2.884000   -0.883000   -3.244000   241    36
    38  H      3.372000    0.804000   -3.374000   241    36
    39  C      4.390000   -0.318000   -1.845000   242    36    40    41
    40  O      4.720000    0.422000   -0.915000   243    39
    41  O      5.020000   -1.348000   -2.155000   243    39
    42  C      0.240000   -0.798000   -3.125000   234    31    43    44
    43  O     -0.280000   -1.618000   -2.385000   236    42
    44  N      0.500000   -0.988000   -4.415000   346    42    46    45
    45  H      0.969000   -0.277000   -4.953000   347    44
    46  C      0.310000   -2.328000   -4.945000   348    44    49    48    47
    47  H     -0.730000   -2.633000   -4.815000   349    46
    48  H      0.952000   -3.028000   -4.405000   349    46
    49  H      0.566000   -2.352000   -6.004000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-668.pdb (Count 2626)
     1  H     -3.931000   -2.197000   -1.876000   341     2
     2  C     -3.594000   -2.416000   -2.887000   340     5     4     3     1
     3  H     -3.161000   -3.413000   -2.927000   341     2
     4  H     -4.434000   -2.352000   -3.577000   341     2
     5  C     -2.544000   -1.396000   -3.297000   342     2     6     7
     6  O     -2.714000   -0.676000   -4.277000   343     5
     7  N     -1.424000   -1.346000   -2.557000     7     5     9    8
     8  H     -1.324000   -1.923000   -1.739000    10     7
     9  C     -0.374000   -0.406000   -2.887000     8     7     15    10    11
    10  H     -0.514000    0.022000   -3.881000    12     9
    11  C      0.976000   -1.076000   -2.857000    13     9    12    13    14
    12  H      1.014000   -1.864000   -3.610000    14    11
    13  H      1.757000   -0.344000   -3.072000    14    11
    14  H      1.166000   -1.509000   -1.873000    14    11
    15  C     -0.404000    0.694000   -1.857000     9     9    16    17
    16  O     -0.344000    0.454000   -0.657000    11     15
    17  N     -0.454000    1.934000   -2.357000   346     15    19    18
    18  H     -0.463000    2.070000   -3.356000   347    17
    19  C     -0.514000    3.084000   -1.477000   348    17    21    20    22
    20  H     -1.366000    2.998000   -0.801000   349    19
    21  H      0.403000    3.138000   -0.882000   349    19
    22  H     -0.606000    4.001000   -2.060000   349    19
    23  H     -1.824000    2.633000    1.888000   341    24
    24  C     -2.044000    1.724000    2.443000   340    27    23    25    26
    25  H     -2.622000    1.962000    3.334000   341    24
    26  H     -2.593000    1.028000    1.813000   341    24
    27  C     -0.734000    1.084000    2.863000   342    24    28    29
    28  O     -0.454000    0.984000    4.063000   343    27
    29  N      0.076000    0.644000    1.913000   232    27    31    30
    30  H     -0.132000    0.836000    0.948000   235    29
    31  C      1.366000    0.084000    2.263000   233    29    42    32    33
    32  H      1.644000    0.360000    3.282000   237    31
    33  C      2.456000    0.644000    1.363000   238    31    36    35    34
    34  H      2.218000    0.431000    0.320000   239    33
    35  H      3.401000    0.157000    1.610000   239    33
    36  C      2.616000    2.144000    1.563000   240    33    39    38    37
    37  H      2.775000    2.331000    2.628000   241    36
    38  H      1.687000    2.644000    1.276000   241    36
    39  C      3.756000    2.784000    0.773000   242    36    40    41
    40  O      4.126000    2.294000   -0.297000   243    39
    41  O      4.266000    3.824000    1.243000   243    39
    42  C      1.356000   -1.426000    2.243000   234    31    43    44
    43  O      2.016000   -2.096000    3.033000   236    42
    44  N      0.606000   -1.996000    1.293000   346    42    46    45
    45  H      0.116000   -1.385000    0.654000   347    44
    46  C      0.366000   -3.426000    1.303000   348    44    49    48    47
    47  H     -0.079000   -3.715000    2.257000   349    46
    48  H      1.315000   -3.954000    1.188000   349    46
    49  H     -0.304000   -3.702000    0.489000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-961.pdb (Count 2626)
     1  H      4.165000   -4.117000    4.911000   341     2
     2  C      3.693000   -3.357000    5.529000   340     5     4     3     1
     3  H      3.116000   -3.829000    6.322000   341     2
     4  H      4.444000   -2.699000    5.961000   341     2
     5  C      2.743000   -2.527000    4.669000   342     2     6     7
     6  O      1.543000   -2.457000    4.929000   343     5
     7  N      3.303000   -1.897000    3.639000     7     5     9    8
     8  H      4.293000   -1.958000    3.498000    10     7
     9  C      2.543000   -0.957000    2.839000     8     7     15    10    11
    10  H      1.655000   -1.454000    2.438000    12     9
    11  C      3.403000   -0.467000    1.679000    13     9    12    13    14
    12  H      2.816000    0.214000    1.060000    14    11
    13  H      4.281000    0.057000    2.056000    14    11
    14  H      3.711000   -1.314000    1.066000    14    11
    15  C      2.093000    0.193000    3.699000     9     9    16    17
    16  O      2.743000    0.533000    4.689000    11     15
    17  N      0.973000    0.813000    3.329000   346     15    19    18
    18  H      0.496000    0.491000    2.482000   347    17
    19  C      0.453000    1.963000    4.049000   348    17    21    20    22
    20  H      1.207000    2.751000    4.079000   349    19
    21  H     -0.440000    2.331000    3.543000   349    19
    22  H      0.199000    1.668000    5.068000   349    19
    23  H     -5.500000   -0.090000   -5.337000   341    24
    24  C     -5.117000   -0.017000   -4.321000   340    27    23    25    26
    25  H     -5.453000   -0.872000   -3.738000   341    24
    26  H     -5.460000    0.907000   -3.862000   341    24
    27  C     -3.597000   -0.017000   -4.371000   342    24    28    29
    28  O     -3.007000   -0.087000   -5.451000   343    27
    29  N     -2.927000    0.063000   -3.221000   232    27    31    30
    30  H     -3.429000    0.035000   -2.349000   235    29
    31  C     -1.487000    0.203000   -3.181000   233    29    42    32    33
    32  H     -1.003000   -0.638000   -3.679000   237    31
    33  C     -0.987000    0.313000   -1.741000   238    31    36    35    34
    34  H      0.081000    0.535000   -1.784000   239    33
    35  H     -1.496000    1.146000   -1.252000   239    33
    36  C     -1.187000   -0.937000   -0.911000   240    33    39    38    37
    37  H     -2.257000   -1.151000   -0.840000   241    36
    38  H     -0.699000   -1.776000   -1.413000   241    36
    39  C     -0.617000   -0.777000    0.469000   242    36    40    41
    40  O     -0.027000    0.263000    0.749000   243    39
    41  O     -0.767000   -1.707000    1.279000   243    39
    42  C     -1.077000    1.483000   -3.901000   234    31    43    44
    43  O     -0.137000    1.513000   -4.691000   236    42
    44  N     -1.817000    2.553000   -3.591000   346    42    46    45
    45  H     -2.563000    2.437000   -2.926000   347    44
    46  C     -1.527000    3.863000   -4.131000   348    44    49    48    47
    47  H     -0.516000    4.159000   -3.845000   349    46
    48  H     -1.584000    3.827000   -5.221000   349    46
    49  H     -2.241000    4.594000   -3.752000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-490.pdb (Count 2187)
     1  H      1.226000    4.763000    2.318000   341     2
     2  C      1.282000    3.717000    2.032000   340     5     4     3     1
     3  H      2.080000    3.556000    1.309000   341     2
     4  H      0.344000    3.399000    1.580000   341     2
     5  C      1.572000    2.867000    3.262000   342     2     6     7
     6  O      2.732000    2.657000    3.612000   343     5
     7  N      0.532000    2.367000    3.922000     7     5     9    8
     8  H     -0.386000    2.448000    3.518000    10     7
     9  C      0.732000    1.627000    5.142000     8     7     15    10    11
    10  H      1.231000    2.289000    5.852000    12     9
    11  C     -0.588000    1.207000    5.752000    13     9    12    13    14
    12  H     -1.112000    0.532000    5.074000    14    11
    13  H     -0.407000    0.695000    6.698000    14    11
    14  H     -1.206000    2.086000    5.937000    14    11
    15  C      1.642000    0.417000    4.982000     9     9    16    17
    16  O      2.382000    0.067000    5.902000    11     15
    17  N      1.602000   -0.223000    3.822000   346     15    19    18
    18  H      1.128000    0.193000    3.019000   347    17
    19  C      2.402000   -1.413000    3.612000   348    17    21    20    22
    20  H      2.101000   -2.194000    4.310000   349    19
    21  H      2.262000   -1.760000    2.587000   349    19
    22  H      3.456000   -1.175000    3.766000   349    19
    23  H      1.053000   -2.895000   -6.511000   341    24
    24  C      1.122000   -2.093000   -5.778000   340    27    23    25    26
    25  H      1.072000   -1.129000   -6.280000   341    24
    26  H      2.056000   -2.179000   -5.226000   341    24
    27  C     -0.028000   -2.213000   -4.818000   342    24    28    29
    28  O     -0.858000   -3.103000   -4.958000   343    27
    29  N     -0.118000   -1.293000   -3.858000   232    27    31    30
    30  H      0.608000   -0.605000   -3.743000   235    29
    31  C     -1.208000   -1.323000   -2.908000   233    29    42    32    33
    32  H     -1.220000   -2.282000   -2.389000   237    31
    33  C     -1.078000   -0.203000   -1.878000   238    31    36    35    34
    34  H     -1.004000    0.749000   -2.409000   239    33
    35  H     -1.980000   -0.196000   -1.263000   239    33
    36  C      0.122000   -0.383000   -0.978000   240    33    39    38    37
    37  H      0.049000   -1.353000   -0.479000   241    36
    38  H      1.034000   -0.370000   -1.580000   241    36
    39  C      0.192000    0.707000    0.042000   242    36    40    41
    40  O     -0.498000    1.727000   -0.108000   243    39
    41  O      0.952000    0.537000    1.022000   243    39
    42  C     -2.548000   -1.183000   -3.618000   234    31    43    44
    43  O     -3.538000   -1.843000   -3.298000   236    42
    44  N     -2.568000   -0.293000   -4.618000   346    42    46    45
    45  H     -1.726000    0.212000   -4.836000   347    44
    46  C     -3.788000   -0.063000   -5.368000   348    44    49    48    47
    47  H     -4.577000    0.269000   -4.690000   349    46
    48  H     -3.623000    0.696000   -6.133000   349    46
    49  H     -4.104000   -0.995000   -5.842000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-077.pdb (Count 2142)
     1  H     -7.444000    0.761000    2.059000   341     2
     2  C     -6.951000    0.053000    2.722000   340     5     4     3     1
     3  H     -7.682000   -0.385000    3.400000   341     2
     4  H     -6.175000    0.555000    3.295000   341     2
     5  C     -6.331000   -1.047000    1.902000   342     2     6     7
     6  O     -6.691000   -2.217000    2.052000   343     5
     7  N     -5.421000   -0.697000    0.992000     7     5     9    8
     8  H     -5.181000    0.269000    0.850000    10     7
     9  C     -4.761000   -1.717000    0.192000     8     7     15    10    11
    10  H     -5.510000   -2.368000   -0.262000    12     9
    11  C     -3.971000   -1.047000   -0.908000    13     9    12    13    14
    12  H     -3.483000   -1.804000   -1.526000    14    11
    13  H     -3.198000   -0.397000   -0.494000    14    11
    14  H     -4.634000   -0.459000   -1.543000    14    11
    15  C     -3.811000   -2.597000    1.002000     9     9    16    17
    16  O     -3.761000   -3.797000    0.812000    11     15
    17  N     -3.121000   -2.017000    1.982000   346     15    19    18
    18  H     -3.181000   -1.018000    2.081000   347    17
    19  C     -2.301000   -2.777000    2.892000   348    17    21    20    22
    20  H     -2.913000   -3.521000    3.405000   349    19
    21  H     -1.838000   -2.117000    3.625000   349    19
    22  H     -1.520000   -3.295000    2.330000   349    19
    23  H      7.094000   -0.164000   -1.331000   341    24
    24  C      6.989000    0.443000   -2.228000   340    27    23    25    26
    25  H      7.900000    1.015000   -2.397000   341    24
    26  H      6.789000   -0.193000   -3.088000   341    24
    27  C      5.829000    1.413000   -2.048000   342    24    28    29
    28  O      6.029000    2.633000   -2.058000   343    27
    29  N      4.639000    0.883000   -1.768000   232    27    31    30
    30  H      4.521000   -0.116000   -1.828000   235    29
    31  C      3.469000    1.683000   -1.438000   233    29    42    32    33
    32  H      3.360000    2.465000   -2.192000   237    31
    33  C      2.169000    0.873000   -1.428000   238    31    36    35    34
    34  H      1.374000    1.505000   -1.030000   239    33
    35  H      2.297000    0.036000   -0.739000   239    33
    36  C      1.689000    0.323000   -2.768000   240    33    39    38    37
    37  H      2.517000   -0.219000   -3.232000   241    36
    38  H      1.454000    1.167000   -3.421000   241    36
    39  C      0.489000   -0.587000   -2.678000   242    36    40    41
    40  O     -0.661000   -0.177000   -2.498000   243    39
    41  O      0.689000   -1.817000   -2.768000   243    39
    42  C      3.629000    2.403000   -0.108000   234    31    43    44
    43  O      3.199000    3.553000    0.022000   236    42
    44  N      4.329000    1.773000    0.812000   346    42    46    45
    45  H      4.696000    0.857000    0.613000   347    44
    46  C      4.669000    2.473000    2.042000   348    44    49    48    47
    47  H      5.260000    3.360000    1.805000   349    46
    48  H      5.243000    1.821000    2.700000   349    46
    49  H      3.755000    2.789000    2.550000   349    46
    49  Clusters/ALA-GLU/PDBs/Generator-590.pdb (Count 2092)
     1  H      4.556000   -0.978000    2.482000   341     2
     2  C      4.061000   -1.840000    2.039000   340     5     4     3     1
     3  H      4.229000   -1.844000    0.962000   341     2
     4  H      4.437000   -2.760000    2.479000   341     2
     5  C      2.571000   -1.730000    2.289000   342     2     6     7
     6  O      2.091000   -0.760000    2.869000   343     5
     7  N      1.791000   -2.700000    1.819000     7     5     9    8
     8  H      2.149000   -3.325000    1.113000    10     7
     9  C      0.361000   -2.710000    2.079000     8     7     15    10    11
    10  H     -0.108000   -1.898000    1.520000    12     9
    11  C     -0.269000   -4.020000    1.669000    13     9    12    13    14
    12  H     -1.343000   -3.977000    1.853000    14    11
    13  H      0.160000   -4.851000    2.228000    14    11
    14  H     -0.110000   -4.206000    0.609000    14    11
    15  C      0.131000   -2.470000    3.569000     9     9    16    17
    16  O     -0.689000   -1.690000    4.009000    11     15
    17  N      0.811000   -3.320000    4.349000   346     15    19    18
    18  H      1.462000   -3.950000    3.912000   347    17
    19  C      0.611000   -3.340000    5.789000   348    17    21    20    22
    20  H     -0.435000   -3.561000    6.012000   349    19
    21  H      0.854000   -2.358000    6.201000   349    19
    22  H      1.250000   -4.094000    6.249000   349    19
    23  H     -3.966000    1.613000   -4.841000   341    24
    24  C     -4.249000    1.600000   -3.791000   340    27    23    25    26
    25  H     -4.449000    0.580000   -3.470000   341    24
    26  H     -5.131000    2.219000   -3.636000   341    24
    27  C     -3.099000    2.170000   -2.961000   342    24    28    29
    28  O     -3.239000    3.140000   -2.221000   343    27
    29  N     -1.969000    1.460000   -2.971000   232    27    31    30
    30  H     -1.907000    0.653000   -3.569000   235    29
    31  C     -0.769000    1.850000   -2.251000   233    29    42    32    33
    32  H     -1.034000    1.995000   -1.203000   237    31
    33  C      0.261000    0.740000   -2.321000   238    31    36    35    34
    34  H      1.179000    1.104000   -1.858000   239    33
    35  H      0.472000    0.505000   -3.366000   239    33
    36  C     -0.169000   -0.520000   -1.601000   240    33    39    38    37
    37  H     -0.418000   -0.258000   -0.570000   241    36
    38  H     -1.078000   -0.900000   -2.075000   241    36
    39  C      0.861000   -1.620000   -1.581000   242    36    40    41
    40  O      2.051000   -1.400000   -1.871000   243    39
    41  O      0.441000   -2.740000   -1.221000   243    39
    42  C     -0.179000    3.150000   -2.761000   234    31    43    44
    43  O     -0.069000    3.340000   -3.971000   236    42
    44  N      0.241000    4.020000   -1.851000   346    42    46    45
    45  H      0.108000    3.791000   -0.879000   347    44
    46  C      0.911000    5.260000   -2.191000   348    44    49    48    47
    47  H      1.812000    5.041000   -2.768000   349    46
    48  H      1.182000    5.803000   -1.285000   349    46
    49  H      0.247000    5.876000   -2.800000   349    46
